Yazar "Ozdogan, T" için listeleme
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Calculation of arbitrary overlap integrals over type orbitals using basic overlap integrals
Guseinov, II; Mamedov, BA; Orbay, M; Ozdogan, T (Huazhong Univ Sci Tech Press, 2000)The recurrence relations are presented for the calculation of basic overlap integrals, by making use of which other overlap integrals are calculated analytically. These recurrence relations are especially useful for the ... -
Calculation of electric multipole moment integrals using translation formulas for Slater-type orbitals
Guseinov, II; Mamedov, BA; Orbay, M; Ozdogan, T; Rzaeva, AM; Gasanov, AG (Huazhong Univ Sci Tech Press, 2000)Using translation formulas for Slater-type orbitals the infinite series through the overlap integrals are derived for the electric multipole moment integrals. By the use of the derived expressions the electric multipole ... -
Calculation of magnetic multipole moment integrals using translation formulas for Slater-type orbitals
Guseinov, II; Mamedov, BA; Ozdogan, T; Orbay, M (Indian Academy Sciences, 1999)Using translation formulas for Slater type orbitals (STO's) the infinite series through the overlap integrals are derived for the magnetic multipole moment integrals. By the use of the derived expressions the magnetic ... -
Calculation of two-center nuclear attraction integrals over integer and noninteger n-Slater type orbitals in nonlined-up coordinate systems
Ozdogan, T; Gumus, S; Kara, M (Kluwer Academic/Plenum Publ, 2003)Two-center nuclear attraction integrals over Slater type orbitals with integer and noninteger principal quantum numbers in nonlined up coordinate systems have been calculated by means of formulas in our previous work (T. ... -
Cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients and its use in the evaluation of multicenter integrals
Ozdogan, T; Orbay, M (Inst Physics Acad Sci Czech Republic, 2002)In this study, we present cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients. The obtained results are useful for the calculation of multicenter molecular integrals, over ... -
Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas
Guseinov, II; Rzaeva, AM; Mamedov, BA; Orbay, M; Ozdogan, T; Oner, F (Elsevier Science Bv, 1999)Analytical expressions through the overlap integrals are derived for the electric multipole moment integrals over Slater type orbitals. These formulas can be used for the calculation of the 2(nu)-pole electric moments of ... -
Electric multipole moments for some first-row diatomic hydride molecules
Orbay, M; Ozdogan, T (Iop Publishing Ltd, 2001)As an example of the use of the analytical formulas derived for electric multipole moment integrals over STOs in our previous work (I.I. Guseinov, ct al., J. Mel. Struct. (Theochem) 465 (1999) 5), the 2(nu)-pole electric ... -
Evaluation of multicenter electric multipole moment integrals over integer and noninteger n-STOs
Ozdogan, T (Wiley-V C H Verlag Gmbh, 2004)Multicenter electric multipole moment integrals over Slater type orbitals with integer and noninteger principal quantum numbers are expressed in terms of overlap integrals. The computer results for the integer case agree ... -
Evaluation of multicenter nuclear attraction integrals by the use of translation formula for Slater type orbitals
Gumus, S; Ozdogan, T (Int Academic Publ, 2003)By the use of translation formula for Slater type orbitals (STOs), three-center nuclear attraction integrals are represented in terms of two-center overlap and nuclear attraction integrals. The computing results for the ... -
Evaluation of two-center overlap and nuclear attraction integrals over Slater-type orbitals with integer and noninteger principal quantum numbers
Ozdogan, T; Orbay, M (Wiley, 2002)A general formula has been established for the expansion of the product of two normalized associated Legendre functions centered on the nuclei a and b. This formula has been utilized for the evaluation of two-center overlap ... -
Evaluation of two-center overlap integrals over Slater-type orbitals using Fourier transform convolution theorem
Ozdogan, T (Inst Organic Chem and Biochem, 2004)Analytical expressions are presented for two-center overlap integrals over Slater-type orbitals using Fourier transform convolution theorem. The efficiency of calculation of these expressions is compared with those of other ... -
Evaluation of two-center overlap integrals using slater type orbitals in terms of bessel type orbitals
Ozdogan, T; Orbay, M; Degirmenci, S (Springer, 2005)Using the definition of STOs in terms of BTOs, we have presented analytical formula for two-center overlap integrals. The obtained formula contains generalized binomial coefficients and Mulliken integrals A(k) and B-k. ... -
Fast and stable algorithm for analytical evaluation of two-center overlap integrals over Slater-type orbitals with integer and noninteger principal quantum numbers
Ozdogan, T (Wiley, 2004)A unified algorithm is presented for analytical evaluation of two-center overlap integrals over Slater-type orbitals with integer and noninteger principal quantum numbers. Two-center overlap integrals are expressed as ... -
Hartree-Fock-Roothaan calculations for ground states of some atoms using minimal basis sets of integer and noninteger n-STOs
Gumus, S; Ozdogan, T (Wiley-V C H Verlag Gmbh, 2004)Hartree-Fock-Roothaan (HFR) calculations for ground states of some atoms, i.e. He, Be, Ne, Ar, and Kr have been performed using minimal basis sets of Slater type orbitals (STOs) with integer and noninteger principal quantum ... -
Higher electric multipole moments for some polyatomic molecules from accurate SCF calculations
Ozdogan, T (Int Academic Publ, 2002)Higher electric multipole moments for the ground-state electronic configuration of some polyatomic molecules, i.e. CH4, NH3, H2O, were calculated from SCF-HFR wavefunctions using Slater-type orbital basis sets. The calculated ... -
On the evaluation of two-center overlap integrals over integer and noninteger n-Slater-type orbitals
Ozdogan, T; Orbay, M; Gumus, S (Iop Publishing Ltd, 2002)In this study, two-center overlap integrals over Slater-type orbitals (STOs) with integer and noninteger principal quantum numbers in unaligned coordinate systems have been calculated using formulas for overlap integrals ... -
A product operator theory of 2D DEPT J-resolved NMR spectroscopy for ISn spin system (I=1/2, S=1)
Gencten, A; Ozdogan, T; Koksal, F (Marcel Dekker Inc, 1998)By using the product operator technique, analytical description of multipulse NMR experiments can be made. 2D DEFT J-resolved NMR spectroscopy is obtained by combining DEFT and 2D J-resolved NMR spectroscopy. In this study, ... -
Reply to "comment on 'calculation of two-center nuclear attraction integrals over integer and noninteger n-slater-type orbitals in nonlined-up coordinate systems" '
Ozdogan, T (Springer, 2005)The comments of Guseinov on our recent paper (T. Ozdogan, S. Gumus and M. Kara, J. Math. Chem. 33 (2003) 181) are critically analyzed. It is proved that the expansion formula for the product of two normalized associated ... -
Reply to comment on "Evaluation of multicenter electric multipole moment integrals over integer and noninteger n-STOs"
Ozdogan, T (Wiley-V C H Verlag Gmbh, 2004)We critically analyzed the comments of Guseinov on our paper. Contrary to his comments, we show that the formulae we presented in our paper for multicenter electric multipole moment integrals over integer and noninteger ... -
Reply to comment on "Symbolic calculation of two-center overlap integrals over slater-type orbitals"
Gumus, S; Ozdogan, T (Wiley-V C H Verlag Gmbh, 2004)The comments of Guseinov are critically analyzed. Contrary to his comments, it is pointed out that our formula for two-center overlap integrals over Slater type orbitals have been derived independently, not derived from ...
